N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide

C18H16BrNO3 — CID 17496272

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H16BrNO3/c1-11(17-9-12-5-3-4-6-16(12)23-17)20-18(21)14-10-13(22-2)7-8-15(14)19/h3-11H,1-2H3,(H,20,21)
InChIKeyDSVVNSPHRROKSG-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide (PubChem CID 17496272) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
PubChem CID17496272
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C18H16BrNO3/c1-11(17-9-12-5-3-4-6-16(12)23-17)20-18(21)14-10-13(22-2)7-8-15(14)19/h3-11H,1-2H3,(H,20,21)
InChIKeyDSVVNSPHRROKSG-UHFFFAOYSA-N
XLogP4.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-bromo-5-methoxybenzamide
CID 124725331
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-bromo-4,5-dimethoxyphenyl)acetamide
CID 9368689
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27754373
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
(2S)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-bromophenoxy)propanamide
CID 9367367
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide (CID 17496272) is N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NC(C)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide?
The InChIKey is DSVVNSPHRROKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-11(17-9-12-5-3-4-6-16(12)23-17)20-18(21)14-10-13(22-2)7-8-15(14)19/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide has a molecular weight of 374.23 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 17496272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).